Name: Name:octyl hydrogen phthalate
Brand: AABLOCKS
SKU: AA00DEU5
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00DEU5

Chemical Name: octyl hydrogen phthalate

CAS Number: 5393-19-1

Molecular Formula: C16H22O4

Molecular Weight: 278.3435

MDL Number: MFCD00517704

SMILES: CCCCCCCCOC(=O)c1ccccc1C(=O)O

NSC Number: 4639

Properties

Storage: 2-8℃;

Complexity: 301

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 20

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 10

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 5.3

Upstream Synthesis Route

85-44-9

111-87-5

117-84-0

5393-19-1

[1]JournaloftheChemicalSociety-PerkinTransactions1,1998,#12,p.1913-1917

Literature fold

Title: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.

Journal: Journal of applied toxicology : JAT20140701

Title: Circulating levels of bisphenol A (BPA) and phthalates in an elderly population in Sweden, based on the Prospective Investigation of the Vasculature in Uppsala Seniors (PIVUS).

Journal: Ecotoxicology and environmental safety20120101

Title: Prenatal exposure to phthalate esters and PAHs and birth outcomes.

Journal: Environment international20101001

Title: Assessing the relevance of in vitro measures of phthalate inhibition of steroidogenesis for in vivo response.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20100201

Title: Association of urinary phthalate metabolite concentrations with body mass index and waist circumference: a cross-sectional study of NHANES data, 1999-2002.

Journal: Environmental health : a global access science source20080101

Title: Mono-(3-carboxypropyl) phthalate, a metabolite of di-n-octyl phthalate.

Journal: Journal of toxicology and environmental health. Part A20060201

Title: Urinary metabolites of di-n-octyl phthalate in rats.

Journal: Toxicology20050601

Title: Monophthalates promote IL-6 and IL-8 production in the human epithelial cell line A549.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20040601

Title: Urinary levels of seven phthalate metabolites in the U.S. population from the National Health and Nutrition Examination Survey (NHANES) 1999-2000.

Journal: Environmental health perspectives20040301

Title: Comparative effects of phthalate monoesters on gap junctional intercellular communication and peroxisome proliferation in rodent and primate hepatocytes.

Journal: Journal of toxicology and environmental health. Part A20020426

Title: Adjuvant and immuno-suppressive effect of six monophthalates in a subcutaneous injection model with BALB/c mice.

Journal: Toxicology20011201

Title: A biomarker approach to measuring human dietary exposure to certain phthalate diesters.

Journal: Food additives and contaminants20011201

5393-19-1 | octyl hydrogen phthalate